SCHEMBL5452814

SCHEMBL5452814

O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 7/20 0.63
MAPT P10636 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
GAA P10253 3/20 0.63
LMNA P02545 3/20 0.63
ALOX12 P18054 2/20 0.63
HTT P42858 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
NPC1 O15118 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
KDR P35968 1/20 0.60
HPGD P15428 2/20 0.59
CYP19A1 P11511 1/20 0.59
KDM4E B2RXH2 1/20 0.56
RAB9A P51151 2/20 0.55
PKM P14618 2/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.53
PAX8 Q06710 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30542218 0.88 ALDH1A1 (0.73) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL709156 0.87 MEN1 (0.70) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL5078630 0.84 ALDH1A1 (0.79) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL30362897 0.84 MAPT (0.64) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL28402335 0.84 MAPT (0.64) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL30542203 0.84 ALDH1A1 (0.65) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL14633632 0.84 ALDH1A1 (0.79) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL6301912 0.84 ALDH1A1 (0.79) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL6301926 0.82 MAPT (0.80) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL11482551 0.81 HPGD (0.66) KMT2AALDH1A1MAPTSMN1; SMN2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed